IBS-ZINC05217796 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.2260 1.2250 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.2800 0.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6290 -0.4970 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -1.0280 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -2.5350 1.2290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2830 -3.0740 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.9240 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -2.1830 0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.7340 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -2.6070 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -3.1840 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -3.5950 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -3.4240 -0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -2.8710 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -2.4730 0.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -2.7100 1.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -3.1490 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -4.1740 -2.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -3.3560 -2.3760 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4870 -4.3800 -2.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -2.4720 -3.2050 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4570 -2.8910 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.5480 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 1.7570 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 1.4420 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -0.7390 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.7790 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -3.9950 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -2.6830 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.5030 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -0.2140 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -2.3070 2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -2.9420 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5430 -2.6120 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 -4.2200 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -4.2950 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -4.4580 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -2.6100 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -3.9640 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -2.3530 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END